methyl 3-bromobicyclo[2.2.1]hepta-2,5-diene-2-carboxylate

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: methyl 3-bromobicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
• 化学式: C₉H₉BrO₂
• 分子量: 229.073
• InChiKey: ILRLFVDWGLNVIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  methyl 3-bromobicyclo[2.2.1]hepta-2,5-diene-2-carboxylate 在 palladium on activated charcoal 氢气 作用下， 以 环己烷 为溶剂， 反应 12.0h， 生成 methyl 3-bromobicyclo[2.2.1]hept-2-ene-2-carboxylate
  参考文献：
  名称：

  QSAR studies and pharmacophore identification for arylsubstituted cycloalkenecarboxylic acid methyl esters with affinity for the human dopamine transporter

  摘要：

  Data from a series of 29 monoamine transport inhibitors were used to generate 2D and 3D QSAR models for their binding affinity to the human dopamine transporter (hDAT). Among the inhibitors were many non-nitrogen containing compounds. The 2D QSAR analysis resulted in the equation -log K-i = 4.00 - 3.93E(LUMO) - 0.67E(HOMO) - 3.24 sigma(p), which predicted the importance of electron withdrawing groups in the aromatic moiety. However, the model failed to predict the observed poor binding of nitro-substituted compounds. In contrast, a derived 3D QSAR model was capable of predicting these more correctly. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.05.015
• 作为产物：
  描述：

  3-溴炔丙酸甲酯 、 环戊二烯 以 甲苯 为溶剂， 反应 2.0h， 以74%的产率得到methyl 3-bromobicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
  参考文献：
  名称：

  [EN] CYCLOALKYL-LINKED DIHETEROCYCLE DERIVATIVES
  [FR] DÉRIVÉS DE DIHÉTÉROCYCLE LIÉS À CYCLOALKYLE

  摘要：

  本发明涉及具有式（I）的化合物或其药用盐，其中A、L、D、R1-R15、w、x、y和z在此处被定义。这些新颖的环烷基连接的二杂环衍生物可用于治疗哺乳动物中的异常细胞生长，如癌症。本发明还涉及含有这些化合物的药物组合物，以及在治疗哺乳动物中的异常细胞生长中使用这些化合物和组合物的方法。

  公开号：

  WO2015166373A1

文献信息

• PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS
  申请人：Siddiqui M. Arshad

  公开号：US20120322791A1

  公开（公告）日：2012-12-20

  The present invention provides Pyrazolopyrimidine Compounds of Formula (I): wherein L, T, Z, U, V, W, R 3 , R 6 , R 7 , R 8 , and m are as defined herein, and pharmaceutically acceptable salts of such Pyrazolopyrimidine Compounds. The Pyrazolopyrimidine Compounds are useful in the treatment of cancer and other diseases or disorders wherein mTOR is deregulated.

  本发明提供了式（I）的吡唑吡咯啉化合物：其中L、T、Z、U、V、W、R3、R6、R7、R8和m如本文所定义，并且这些吡唑吡咯啉化合物的药物可接受的盐。这些吡唑吡咯啉化合物在治疗癌症和其他mTOR失调的疾病或疾病中具有用处。
• Cycloalkyl-linked diheterocycle derivatives
  申请人：PFIZER INC.

  公开号：US10125130B2

  公开（公告）日：2018-11-13

  The present invention relates to compounds of formula (I) or pharmaceutically acceptable salts thereof, wherein A, L, D, R1-R15, w, x, y, and z are defined herein. The novel cycloalkyl-linked diheterocycle derivatives that are useful in the treatment of abnormal cell growth, such as cancer, in mammals. The present invention also relates to pharmaceutical compositions containing the compounds and to methods of using the compounds and compositions in the treatment of abnormal cell growth in mammals.

  本发明涉及式 (I) 的化合物 或其药学上可接受的盐，其中 A、L、D、R1-R15、w、x、y 和 z 在本文中定义。本发明的新型环烷基连环二杂环衍生物可用于治疗哺乳动物的异常细胞生长，如癌症。本发明还涉及含有这些化合物的药物组合物，以及使用这些化合物和组合物治疗哺乳动物异常细胞生长的方法。
• CHAMBERLAIN P.; ROONEY A., TETRAHEDRON LETT., 1979, NO 4, 383-386
  作者：CHAMBERLAIN P.、 ROONEY A.

  DOI：——

  日期：——
• CYCLOALKYL-LINKED DIHETEROCYCLE DERIVATIVES
  申请人：Pfizer Inc.

  公开号：EP3137460A1

  公开（公告）日：2017-03-08
• BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS
  申请人：Neelamkavil Santhosh Francis

  公开号：US20110166165A1

  公开（公告）日：2011-07-07

  The present invention relates to Bicyclic Heterocycle Derivatives of Formula (I), compositions comprising a Bicyclic Heterocycle Derivative, and methods of using the Bicyclic Heterocycle Derivatives for treating or preventing obesity, diabetes, a metabolic disorder, a cardiovascular disease or a disorder related to the activity of a G-protein coupled receptor (GPCR) such as GPR119 in a patient.